SCHEMBL6776372

SCHEMBL6776372

COC(=O)C(C)NC(=O)c1ccc([N+](=O)[O-])cc1C#CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2L1 Q07817 1/20 0.39
NPC1 O15118 1/20 0.39
P2RY6 Q15077 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
KCNMA1 Q12791 2/20 0.37
PAX8 Q06710 1/20 0.37
HK1 P19367 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6776375 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3LMNAMAPT
SCHEMBL6777938 0.87 TAS1R3 (0.46) BCL2L1
SCHEMBL6777939 0.87 TAS1R3 (0.46) BCL2L1
SCHEMBL6776870 0.84 ALOX5 (0.42) ADRB2ADRB1ADRB3LMNAMAPT
SCHEMBL6778272 0.84 TAS1R3 (0.42) ADRB2ADRB1ADRB3MAPTPOLB
SCHEMBL6778269 0.84 TAS1R3 (0.42) ADRB2ADRB1ADRB3MAPTPOLB
SCHEMBL6886592 0.83 ALDH1A1 (0.50) MAPTKMT2AALDH1A1
SCHEMBL6886588 0.83 ALDH1A1 (0.50) MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6776865 0.83 ALOX5 (0.41) ADRB2ADRB1ADRB3LMNAMAPT
Hydrochloric Acid SCHEMBL6776869 0.83 ALOX5 (0.41) ADRB2ADRB1ADRB3LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 ADRB2 1583/4885ADRB1 1176/4885ADRB3 1414/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.